3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide

C34H24N2O4 — CID 134171199

IUPAC3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3cccc(NC(=O)c4cc5ccccc5cc4O)c3c2)c1)c1ccccc1O
InChIInChI=1S/C34H24N2O4/c37-31-14-4-3-12-27(31)33(39)35-26-11-5-10-22(17-26)25-16-15-21-9-6-13-30(28(21)18-25)36-34(40)29-19-23-7-1-2-8-24(23)20-32(29)38/h1-20,37-38H,(H,35,39)(H,36,40)
InChIKeyAOHJZXKDIZEWJS-UHFFFAOYSA-N
MW524.58 g/mol
LogP7.58
Rot. Bonds5

About 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide

3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide (PubChem CID 134171199) has the molecular formula C34H24N2O4 and a molecular weight of 524.58 g/mol. Its IUPAC name is 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
PubChem CID134171199
Molecular FormulaC34H24N2O4
Molecular Weight524.58 g/mol
Exact Mass524.17
IUPAC Name3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc3cccc(NC(=O)c4cc5ccccc5cc4O)c3c2)c1)c1ccccc1O
InChIInChI=1S/C34H24N2O4/c37-31-14-4-3-12-27(31)33(39)35-26-11-5-10-22(17-26)25-16-15-21-9-6-13-30(28(21)18-25)36-34(40)29-19-23-7-1-2-8-24(23)20-32(29)38/h1-20,37-38H,(H,35,39)(H,36,40)
InChIKeyAOHJZXKDIZEWJS-UHFFFAOYSA-N
XLogP7.58
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 57.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide
CID 162689492
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 20667848
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
2-hydroxy-N-phenylbenzamide
CID 157209959
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide (CID 134171199) is 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide is O=C(Nc1cccc(-c2ccc3cccc(NC(=O)c4cc5ccccc5cc4O)c3c2)c1)c1ccccc1O.
What is the InChIKey of 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide?
The InChIKey is AOHJZXKDIZEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O4/c37-31-14-4-3-12-27(31)33(39)35-26-11-5-10-22(17-26)25-16-15-21-9-6-13-30(28(21)18-25)36-34(40)29-19-23-7-1-2-8-24(23)20-32(29)38/h1-20,37-38H,(H,35,39)(H,36,40).
What are the key properties of 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide?
3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 7.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 134171199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).